SCHEMBL1699400

SCHEMBL1699400

CCOC(=O)C(O)c1c(C)cc2cc(OC)ccc2c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PTPN11 Q06124 1/20 0.39
CYP19A1 P11511 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
PTGS2 P35354 1/20 0.38
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1701440 0.89 ALDH1A1 (0.42) KDM4EGABRA2GABRB2ALDH1A1LMNA
SCHEMBL15165286 0.88 MAPT (0.39) KDM4EGABRA2GABRB2DHODHALDH1A1
SCHEMBL10272102 0.85 PTGDR2 (0.37) POLBALDH1A1LMNAMAPTTDP1
SCHEMBL1699300 0.85 CYP3A4 (0.39) KDM4EPOLBGAAPTPN11CYP19A1
SCHEMBL1699736 0.83 PTPN11 (0.41) KDM4EPOLBGAAPTPN11CYP19A1
SCHEMBL1699649 0.83 PTGDR2 (0.43) KDM4EALDH1A1LMNAMAPTTDP1
SCHEMBL1699351 0.82 LMNA (0.38) KDM4EALDH1A1LMNAMAPTNPC1
SCHEMBL1699408 0.80 CYP19A1 (0.42) POLBGAAPTPN11CYP19A1PTGS2
SCHEMBL15099648 0.80 HTT (0.39) KDM4ECYP19A1GABRA2GABRB2DHODH
SCHEMBL1699639 0.80 HTT (0.39) KDM4ECYP19A1GABRA2GABRB2DHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
EP-2588450-B1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES INC (US) 2017-05-24 EP disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-9102614-B2 Naphth-2-ylacetic acid derivatives to treat AIDS GILEAD SCIENCES, INC. (US) 2015-08-11 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2013-08-08 US disclosed
EP-2588450-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
WO-2012003497-A1 NAPHT- 2 -YLACETIC ACID DERIVATIVES TO TREAT AIDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130203727-A1 NAPHT-2-YLACETIC ACID DERIVATIVES TO TREAT AIDS NFATC1, AADAT, ACAT1 KDM4E 2251/4885POLB 1157/4885GAA 98/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.